[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone

Systemtic Name: [4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone Openeye Name: [4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone CAS Name: [4-[5,6-dimethyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-(4-pentylphenyl)methanone IUPAC Name: [4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone Traditional Name: (4-amylphenyl)-[4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]methanone Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3C)C)C4=CC(=CC=C4)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3C)C)C4=CC(=CC=C4)C

InChI

InChI=1S/C29H36N4O/c1-5-6-7-10-24-12-14-25(15-13-24)29(34)33-18-16-32(17-19-33)28-22(3)23(4)30-27(31-28)26-11-8-9-21(2)20-26/h8-9,11-15,20H,5-7,10,16-19H2,1-4H3